General Information of the Compound
| Compound ID |
CP0477859
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| Compound Name |
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperidin-4-ol
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| Structure |
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| Formula |
C22H26ClFN2O3S
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| Molecular Weight |
452.979
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| Canonical SMILES |
OC1(CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1Cl)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H26ClFN2O3S/c23-20-3-1-2-4-21(20)30(28,29)26-13-9-19(10-14-26)25-15-11-22(27,12-16-25)17-5-7-18(24)8-6-17/h1-8,19,27H,9-16H2
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| InChIKey |
PVBJUPPSODEUOO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound